Cas no 274-31-7 (1,3-Benzodithiol-1-ium)
1,3-Benzodithiol-1-ium structure
Product Name:1,3-Benzodithiol-1-ium
1,3-Benzodithiol-1-ium Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodithiol-1-ium
- 274-31-7
- SCHEMBL1448393
- AKOS002664601
- DTXSID801314270
-
- Inchi： 1S/C7H5S2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H/q+1
- InChI Key： WGHQUJVDEAGKKT-UHFFFAOYSA-N
- SMILES： [S+]1=CSC2C=CC=CC1=2
Computed Properties
- Exact Mass: 152.98335
- Monoisotopic Mass: 152.98326751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 91.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- PSA: 0
1,3-Benzodithiol-1-ium Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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